pageid=1255 %>
return to home page Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) Standard Reference Database 101 National Institute of Standards and Technology
You are here:

Compare Angles


Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
Na2Cl2 Disodium dichloride 101.4 100.8 0.6

MP2=FULL/6-31G* for aClNaCl

Histogram of angle differences (in degrees) vs number of species


Differences greater than 1.1 are in the 1.1 bin. Differences less than -0.1 are in the -0.1 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.1 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1.1
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference Na2Cl2 Disodium dichloride 0.6
Most positive difference Na2Cl2 Disodium dichloride 0.6